Dear users,
Force field: 53a6
water model: spcTermini : NH3+ and COO-
After the command:pdb2gmx -f ${MOL}.pdb -o ${MOL}.gro -p ${MOL}.top
-ter -merge -ignh
I have the following error:
Fatal error:
Fatal error:
Atom LPG1 in residue CYS 143 was not found in rtp entry CYSH with 8 atoms
while sorting atoms.
What is the appropriate atom type corresponding to LPG1 and LPG2 for cysteine?
Thanx
Anu
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